[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O4/c1-17(2)21(23-19(25)15-18-11-7-6-8-12-18)22(27)28-16-20(26)24-13-9-4-3-5-10-14-24/h6-8,11-12,17,21H,3-5,9-10,13-16H2,1-2H3,(H,23,25)/t21-/m0/s1